Tadalafil impurity D

01Identiteit

Lazychem ID	LC-34294
CAS RN	Niet vermeld
PubChem CID	139596549
Molecular formula	C22H20ClN3O4
Molecular weight	425.9 g/mol
IUPAC name	1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-N-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
InChIKey	PCNIZAHOODODDG-UHFFFAOYSA-N

02Structuur en stereochemie

Two-dimensional chemical structure of Tadalafil impurity D — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	CNC(=O)C1CC2=C(C(N1C(=O)CCl)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25
InChI	Niet vermeld

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres2Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

3 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

CAS not listed

PCNIZAHOODODDG-UHFFFAOYSA-N

Current configuration

(1S,3R)-1-(Benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide

CAS not listed

PCNIZAHOODODDG-IERDGZPVSA-N

2 defined, 0 unassigned centres